New definition of virtual molecular-group components about CH and CH2 is proposed in the paper.The new reaction,hydrogenation of CH to CH2(HDCH),can be used to represent the change of C and H in RHT.By using the lumpi...New definition of virtual molecular-group components about CH and CH2 is proposed in the paper.The new reaction,hydrogenation of CH to CH2(HDCH),can be used to represent the change of C and H in RHT.By using the lumping approach,the kinetic models about HDCH,HDS,HDN,HDCCR,HDM,HDNi and HDV reactions were established.They are key components of the new kinetic model for RHT based on reaction sections.During the construction of kinetic model,goodness-to-fit(R^2)between test data and model data was set as the target value,and the model parameters were calculated accurately.In verification test,the predicted content of H,S,N,CCR,M,Ni and V can match well with the test data.展开更多
The complexation behavior of unsaturated fatty hydrocarbons,i.e.,1,7-octadiyne and 1,7-octadiene,by a perethylated pillar[5]arene has been investigated,which was compared with that for saturated n-octane. It was found...The complexation behavior of unsaturated fatty hydrocarbons,i.e.,1,7-octadiyne and 1,7-octadiene,by a perethylated pillar[5]arene has been investigated,which was compared with that for saturated n-octane. It was found that the host-guest binding strength increased in accordance with the electron-negativity of the terminal carbon atom on the guests：alkyne〉alkene〉alkane.展开更多
The design and synthesis of porous organic polymers for the potential application in chemical sensors remains a huge challenge nowadays. Herein, a porous organic polymer possessing tetrazole groups（TTZ-3） was synthe...The design and synthesis of porous organic polymers for the potential application in chemical sensors remains a huge challenge nowadays. Herein, a porous organic polymer possessing tetrazole groups（TTZ-3） was synthe-sized via simple Schiff base chemical reaction. Thermogravimetric analysis（TGA）, Fourier transform infrared spec- trometer（FTIR）, solid-state 13C cross polarization/magic angle spinning nuclear magnetic resonance（CP/MAS NMR）, transmission electron microscopies（TEM） and field-scanning electron microscopies（FE-SEM） were adopted to cha- racterize the structure and morphology in detail. Significantly, the formed polymers exhibited special detection of unsaturated hydrocarbons through fluorescence enhancement based on photoactivatable 1,3-dipolar cycloaddition reactions. Furthermore, the reaction activity of different unsaturated hydrocarbons towards the polymers was investigated. This work highlights the great potential of porous organic polymers as chemical sensors in realizing environmental pollution monitoring and reducing the incidence of disease, such as chronic obstructive pulmonary disease.展开更多
The mathematical model of migration of total petroleum hydrocarbons in unsaturated media was described,including convection,molecular diffusion,mechanical dispersion and adsorption,and chemical reactions.By finite ele...The mathematical model of migration of total petroleum hydrocarbons in unsaturated media was described,including convection,molecular diffusion,mechanical dispersion and adsorption,and chemical reactions.By finite element method,a numerical model of evaluating petroleum hydrocarbon migration through contaminated soils was created and applied to the environmental investigations of a relocated mechanical factory in Shanghai.The model consisted of three compacted soil layers:plain fill,sandy silt and silty clay.The results showed that pollutants in the sandy silt traveled faster than that in the plain fill and silty clay.The same decreasing trend of migration velocity was observed in all of the three soil layers.After 180 d,the concentrations of pollutants in the sandy silt can be as low as 40% of the original maximum,while its counterpart in the silty clay is 64%.展开更多
基金financially supported by the SINOPEC Research Program(Grant KL20009 and 118015-2)。
文摘New definition of virtual molecular-group components about CH and CH2 is proposed in the paper.The new reaction,hydrogenation of CH to CH2(HDCH),can be used to represent the change of C and H in RHT.By using the lumping approach,the kinetic models about HDCH,HDS,HDN,HDCCR,HDM,HDNi and HDV reactions were established.They are key components of the new kinetic model for RHT based on reaction sections.During the construction of kinetic model,goodness-to-fit(R^2)between test data and model data was set as the target value,and the model parameters were calculated accurately.In verification test,the predicted content of H,S,N,CCR,M,Ni and V can match well with the test data.
基金supported by NNSFC(Nos.21272155 and 21272147)Innovation Program of Shanghai Municipal Education Commission(No.13YZ010)
文摘The complexation behavior of unsaturated fatty hydrocarbons,i.e.,1,7-octadiyne and 1,7-octadiene,by a perethylated pillar[5]arene has been investigated,which was compared with that for saturated n-octane. It was found that the host-guest binding strength increased in accordance with the electron-negativity of the terminal carbon atom on the guests：alkyne〉alkene〉alkane.
基金Supported by the National Natural Science Foundation of China（No.21601177）, the Special Project of Jilin Provincial School Construction Project, China（No.SXGJXX2017-9） and the ＂111＂ Project of China（No.B 16020）.
文摘The design and synthesis of porous organic polymers for the potential application in chemical sensors remains a huge challenge nowadays. Herein, a porous organic polymer possessing tetrazole groups（TTZ-3） was synthe-sized via simple Schiff base chemical reaction. Thermogravimetric analysis（TGA）, Fourier transform infrared spec- trometer（FTIR）, solid-state 13C cross polarization/magic angle spinning nuclear magnetic resonance（CP/MAS NMR）, transmission electron microscopies（TEM） and field-scanning electron microscopies（FE-SEM） were adopted to cha- racterize the structure and morphology in detail. Significantly, the formed polymers exhibited special detection of unsaturated hydrocarbons through fluorescence enhancement based on photoactivatable 1,3-dipolar cycloaddition reactions. Furthermore, the reaction activity of different unsaturated hydrocarbons towards the polymers was investigated. This work highlights the great potential of porous organic polymers as chemical sensors in realizing environmental pollution monitoring and reducing the incidence of disease, such as chronic obstructive pulmonary disease.
文摘The mathematical model of migration of total petroleum hydrocarbons in unsaturated media was described,including convection,molecular diffusion,mechanical dispersion and adsorption,and chemical reactions.By finite element method,a numerical model of evaluating petroleum hydrocarbon migration through contaminated soils was created and applied to the environmental investigations of a relocated mechanical factory in Shanghai.The model consisted of three compacted soil layers:plain fill,sandy silt and silty clay.The results showed that pollutants in the sandy silt traveled faster than that in the plain fill and silty clay.The same decreasing trend of migration velocity was observed in all of the three soil layers.After 180 d,the concentrations of pollutants in the sandy silt can be as low as 40% of the original maximum,while its counterpart in the silty clay is 64%.
